[4-(3-fluoropropyl)piperazin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone

C12H18FN3OS — CID 126822653

IUPAC[4-(3-fluoropropyl)piperazin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(CCCF)CC2)ns1
InChIInChI=1S/C12H18FN3OS/c1-10-9-11(14-18-10)12(17)16-7-5-15(6-8-16)4-2-3-13/h9H,2-8H2,1H3
InChIKeyUBDBMVNXEVHUJW-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.57
Rot. Bonds4

About [4-(3-fluoropropyl)piperazin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone

[4-(3-fluoropropyl)piperazin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone (PubChem CID 126822653) has the molecular formula C12H18FN3OS and a molecular weight of 271.36 g/mol. Its IUPAC name is [4-(3-fluoropropyl)piperazin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(3-fluoropropyl)piperazin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone
PubChem CID126822653
Molecular FormulaC12H18FN3OS
Molecular Weight271.36 g/mol
Exact Mass271.12
IUPAC Name[4-(3-fluoropropyl)piperazin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(CCCF)CC2)ns1
InChIInChI=1S/C12H18FN3OS/c1-10-9-11(14-18-10)12(17)16-7-5-15(6-8-16)4-2-3-13/h9H,2-8H2,1H3
InChIKeyUBDBMVNXEVHUJW-UHFFFAOYSA-N
XLogP1.57
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3-fluoropropyl)piperazin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone?
The IUPAC name of [4-(3-fluoropropyl)piperazin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone (CID 126822653) is [4-(3-fluoropropyl)piperazin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone.
What is the SMILES notation for [4-(3-fluoropropyl)piperazin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone?
The canonical SMILES for [4-(3-fluoropropyl)piperazin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone is Cc1cc(C(=O)N2CCN(CCCF)CC2)ns1.
What is the InChIKey of [4-(3-fluoropropyl)piperazin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone?
The InChIKey is UBDBMVNXEVHUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3OS/c1-10-9-11(14-18-10)12(17)16-7-5-15(6-8-16)4-2-3-13/h9H,2-8H2,1H3.
What are the key properties of [4-(3-fluoropropyl)piperazin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone?
[4-(3-fluoropropyl)piperazin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone has a molecular weight of 271.36 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluoropropyl)piperazin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone is sourced from PubChem (CID 126822653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).